1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine

C15H25NO2S — CID 64658616

IUPAC1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)S(=O)CCCOC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-13-6-8-14(9-7-13)15(16)12(2)19(17)11-5-10-18-3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyMQDOQOCNAGTOKY-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.42
Rot. Bonds8

About 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine

1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine (PubChem CID 64658616) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
PubChem CID64658616
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)S(=O)CCCOC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-13-6-8-14(9-7-13)15(16)12(2)19(17)11-5-10-18-3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyMQDOQOCNAGTOKY-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
CID 107758744
2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
CID 114232001
1-(4-ethylphenyl)-2-(3-methoxypropylsulfanyl)propan-1-amine
CID 64626253
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
N-ethyl-1-(4-methoxyphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64657838
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
CID 64657896
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
1-(4-ethylphenyl)-2-pentoxypropan-1-amine
CID 43310113
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine (CID 64658616) is 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine is CCc1ccc(C(N)C(C)S(=O)CCCOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine?
The InChIKey is MQDOQOCNAGTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-13-6-8-14(9-7-13)15(16)12(2)19(17)11-5-10-18-3/h6-9,12,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine?
1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine is sourced from PubChem (CID 64658616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).